WAY-208466   Click here for help

GtoPdb Ligand ID: 8429

Compound class: Synthetic organic
Comment: WAY-208466 is a selective serotonin 5-HT6 receptor agonist [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 63.58
Molecular weight 347.11
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C
Isomeric SMILES CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C
InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
InChI Key SFSFIDVAEMDPIP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
Database Links Click here for help
ChEMBL Ligand CHEMBL571858
GtoPdb PubChem SID 252166639
PubChem CID 10337743
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